(phenylmethyl) N-[6-[(2-nitrophenyl)methylamino]hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(2-nitrophenyl)methylamino]hexyl]carbamate Openeye Name: benzyl N-[6-[(2-nitrophenyl)methylamino]hexyl]carbamate CAS Name: N-[6-[(2-nitrophenyl)methylamino]hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(2-nitrophenyl)methylamino]hexyl]carbamate Traditional Name: N-[6-[(2-nitrobenzyl)amino]hexyl]carbamic acid benzyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCCCNCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCCNCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-21(28-17-18-10-4-3-5-11-18)23-15-9-2-1-8-14-22-16-19-12-6-7-13-20(19)24(26)27/h3-7,10-13,22H,1-2,8-9,14-17H2,(H,23,25)